3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one

C10H15N3O2 — CID 126954693

IUPAC3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one
SMILESCN1CCC(Oc2cc(=O)n(C)cn2)C1
InChIInChI=1S/C10H15N3O2/c1-12-4-3-8(6-12)15-9-5-10(14)13(2)7-11-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyJRUYRVGGSUJEEO-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.14
Rot. Bonds2

About 3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one

3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one (PubChem CID 126954693) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one
PubChem CID126954693
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one
SMILESCN1CCC(Oc2cc(=O)n(C)cn2)C1
InChIInChI=1S/C10H15N3O2/c1-12-4-3-8(6-12)15-9-5-10(14)13(2)7-11-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyJRUYRVGGSUJEEO-UHFFFAOYSA-N
XLogP-0.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one?
The IUPAC name of 3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one (CID 126954693) is 3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one?
The canonical SMILES for 3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one is CN1CCC(Oc2cc(=O)n(C)cn2)C1.
What is the InChIKey of 3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one?
The InChIKey is JRUYRVGGSUJEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-4-3-8(6-12)15-9-5-10(14)13(2)7-11-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one?
3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of -0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-one is sourced from PubChem (CID 126954693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).